Information card for entry 7218747

Structure parameters

• Formula: C24 H40 B F4 Ir N4 O2
• Calculated formula: C24 H40 B F4 Ir N4 O2
• Title of publication: Selective catalytic oxidation of sugar alcohols to lactic acid
• Authors of publication: Manas, Michael G.; Campos, Jesús; Sharninghausen, Liam S.; Lin, Elisa; Crabtree, Robert H.
• Journal of publication: Green Chem.
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 1
• Pages of publication: 594
• a: 10.1442 ± 0.0016 Å
• b: 11.7709 ± 0.0018 Å
• c: 15.044 ± 0.002 Å
• α: 109.125 ± 0.008°
• β: 97.344 ± 0.007°
• γ: 109.259 ± 0.008°
• Cell volume: 1545.2 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0775
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No